2-[[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]methoxy]benzonitrile

C25H24N4O2 — CID 19349807

IUPAC2-[[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]methoxy]benzonitrile
SMILESCCCCc1nc2cc[nH]c(=O)c2n1Cc1ccc(COc2ccccc2C#N)cc1
InChIInChI=1S/C25H24N4O2/c1-2-3-8-23-28-21-13-14-27-25(30)24(21)29(23)16-18-9-11-19(12-10-18)17-31-22-7-5-4-6-20(22)15-26/h4-7,9-14H,2-3,8,16-17H2,1H3,(H,27,30)
InChIKeyVOYVEWOSZGUTDD-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.57
Rot. Bonds8

About 2-[[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]methoxy]benzonitrile

2-[[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]methoxy]benzonitrile (PubChem CID 19349807) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-[[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]methoxy]benzonitrile.

Molecular Properties

Compound Name2-[[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]methoxy]benzonitrile
PubChem CID19349807
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name2-[[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]methoxy]benzonitrile
SMILESCCCCc1nc2cc[nH]c(=O)c2n1Cc1ccc(COc2ccccc2C#N)cc1
InChIInChI=1S/C25H24N4O2/c1-2-3-8-23-28-21-13-14-27-25(30)24(21)29(23)16-18-9-11-19(12-10-18)17-31-22-7-5-4-6-20(22)15-26/h4-7,9-14H,2-3,8,16-17H2,1H3,(H,27,30)
InChIKeyVOYVEWOSZGUTDD-UHFFFAOYSA-N
XLogP4.57
TPSA83.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]methoxy]benzonitrile with MolForge

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Related Compounds

2-[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzonitrile
CID 10385241
4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]benzoic acid
CID 19349828
2-butyl-3-[[4-(2-nitrophenyl)phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one
CID 19349843
N-tert-butyl-2-[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzenesulfonamide
CID 10529180
2-[4-[[2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxoimidazo[4,5-c]pyridin-5-yl]methyl]phenyl]benzonitrile
CID 10348085
2-[4-[[2-butyl-5-(cyanomethyl)-4-oxoimidazo[4,5-c]pyridin-3-yl]methyl]phenyl]benzonitrile
CID 19349852
2-[4-[(2-butyl-6-oxo-4-phenylmethoxypyrimidin-1-yl)methyl]phenyl]benzonitrile
CID 67940236
2-butyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one
CID 67882947
2-[4-[[2-butyl-7-(hydroxymethyl)benzimidazol-1-yl]methyl]phenyl]benzonitrile
CID 19792172
[2-[4-[(2-butyl-7-cyanobenzimidazol-1-yl)methyl]phenyl]phenyl] N-(trifluoromethylsulfonyl)carbamate
CID 67757271
2-[2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxoimidazo[4,5-c]pyridin-5-yl]acetic acid
CID 11743965
2-[4-[(2-butyl-4-oxo-5-phenacylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzonitrile
CID 10413651

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]methoxy]benzonitrile?
The IUPAC name of 2-[[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]methoxy]benzonitrile (CID 19349807) is 2-[[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]methoxy]benzonitrile.
What is the SMILES notation for 2-[[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]methoxy]benzonitrile?
The canonical SMILES for 2-[[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]methoxy]benzonitrile is CCCCc1nc2cc[nH]c(=O)c2n1Cc1ccc(COc2ccccc2C#N)cc1.
What is the InChIKey of 2-[[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]methoxy]benzonitrile?
The InChIKey is VOYVEWOSZGUTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-2-3-8-23-28-21-13-14-27-25(30)24(21)29(23)16-18-9-11-19(12-10-18)17-31-22-7-5-4-6-20(22)15-26/h4-7,9-14H,2-3,8,16-17H2,1H3,(H,27,30).
What are the key properties of 2-[[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]methoxy]benzonitrile?
2-[[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]methoxy]benzonitrile has a molecular weight of 412.49 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]methoxy]benzonitrile is sourced from PubChem (CID 19349807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).